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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	9-[(2,4-dimethylbenzyl)amino]-3,3-dimethyl-3,4-dihydroacridin-1(2H)-one - CC1=CC(=C(C=C1)CNC2=C3C(=NC4=CC=CC=C42)CC(CC3=O)(C)C)C	C₂₄H₂₆N₂O	358.5
-	3-bromo-N-[(Z)-[4-methoxy-3-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]phenyl]methylideneamino]benzamide - COC1=C(C=C(C=C1)/C=N\NC(=O)C2=CC(=CC=C2)Br)CN3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4	C₂₇H₂₇BRN₄O₃	535.4
-	N-[(2R)-4-cyclopentyl-1-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-methyl-3-oxobutan-2-yl]formamide - C[C@@](C[C@H]1C2=C(C3=C(C=C2CCN1C)OCO3)OC)(C(=O)CC4CCCC4)NC=O	C₂₃H₃₂N₂O₅	416.5
-	Methyl 2-[[2-[(3-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate - CC1=CC(=CC=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)OC	C₁₉H₁₆O₅	324.3
-	methyl 2-[[2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetyl]amino]-5-(2-phenylethyl)-1,3-thiazole-4-carboxylate - COC(=O)C1=C(SC(=N1)NC(=O)C[C@H]2C(=O)NC3=CC=CC=C3C(=O)N2)CCC4=CC=CC=C4	C₂₄H₂₂N₄O₅S	478.5
-	methyl (4R)-2-amino-6-(hydroxymethyl)-8-oxo-4-pyridin-4-yl-4H-pyrano[3,2-b]pyran-3-carboxylate - COC(=O)C1=C(OC2=C([C@@H]1C3=CC=NC=C3)OC(=CC2=O)CO)N	C₁₆H₁₄N₂O₆	330.29
-	1-(5-Chloro-2-hydroxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one - COC1=CC(=C(C=C1)OC)C=CC(=O)C2=C(C=CC(=C2)Cl)O	C₁₇H₁₅ClO₄	318.7
-	Methyl 4-[2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]benzoate - COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3O2	C₁₈H₁₂N₂O₃	304.3
-	6-Methylpyrazolo[3,4-b][1,4]oxazine - CC1=CN=C2C=NN=C2O1	C₆H₅N₃O	135.12
-	(5S,11R,18R,22S,23S,28S,29S)-22-[[[(2S)-2-hydroxy-2,4-dimethylpentyl]amino]methylamino]-5,18-bis(hydroxymethyl)-29-(2H-indol-5-yl)-23-(methylaminomethoxy)-4,10,17-trioxaoctacyclo[26.7.1.112,16.02,26.03,8.09,25.011,23.032,36]heptatriaconta-1(36),2,8,12(37),13,15,25,30,32,34-decaen-20-yne-15,33-diol - CC(C)C[C@@](C)(CNCN[C@H]1C#CC[C@@H](OC2=C(C=CC(=C2)[C@@H]3[C@@]1(CC4=C5C[C@H]6[C@H](C=CC7=C(C=CC(=C67)C5=C8C(=C4O3)CC[C@H](O8)CO)O)C9=CC1=CCN=C1C=C9)OCNC)O)CO)O	C₅₄H₆₂N₄O₉	911.1